5XW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAN | CAJ | sing | 1.43Å | 1.42Å | |
| OAM | CAL | doub | 1.21Å | 1.22Å | |
| CAL | CAK | sing | 1.51Å | 1.52Å | |
| CAJ | CAK | sing | 1.53Å | 1.51Å | |
| CAJ | NAF | sing | 1.46Å | 1.37Å | |
| NAF | CAB | doub | 1.28Å | 1.31Å | |
| OAD | CAC | doub | 1.21Å | 1.26Å | |
| CAC | OAE | sing | 1.34Å | 1.25Å | |
| CAC | CAA | sing | 1.51Å | 1.55Å | |
| CAB | CAA | sing | 1.51Å | 1.54Å | |
| CAB | CAG | sing | 1.48Å | 1.56Å | |
| CAG | OAI | doub | 1.21Å | 1.24Å | |
| CAG | OAH | sing | 1.35Å | 1.27Å | |
| OAE | H1 | sing | 0.97Å | 0.95Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| OAH | H4 | sing | 0.97Å | 0.95Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.08Å | 1.08Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| OAN | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAN | CAJ | CAK | 118.6° | 109.4° |
| OAN | CAJ | NAF | 117.4° | 109.4° |
| OAN | CAJ | H8 | 93.6° | 109.4° |
| CAJ | OAN | H9 | 109.5° | 114.0° |
| OAM | CAL | CAK | 120.3° | 120.0° |
| OAM | CAL | H7 | 119.8° | 120.0° |
| CAL | CAK | CAJ | 110.5° | 109.5° |
| CAL | CAK | H5 | 109.2° | 109.5° |
| CAL | CAK | H6 | 109.2° | 109.5° |
| CAK | CAL | H7 | 119.8° | 120.0° |
| CAK | CAJ | NAF | 122.8° | 109.5° |
| CAJ | CAK | H5 | 109.2° | 109.5° |
| CAJ | CAK | H6 | 109.2° | 109.5° |
| CAK | CAJ | H8 | 93.4° | 109.5° |
| CAJ | NAF | CAB | 129.7° | 120.0° |
| NAF | CAJ | H8 | 93.8° | 109.5° |
| NAF | CAB | CAA | 122.8° | 120.0° |
| NAF | CAB | CAG | 126.9° | 120.0° |
| OAD | CAC | OAE | 124.0° | 120.0° |
| OAD | CAC | CAA | 117.4° | 120.0° |
| OAE | CAC | CAA | 118.6° | 120.0° |
| CAC | OAE | H1 | 109.5° | 116.9° |
| CAC | CAA | CAB | 113.9° | 109.5° |
| CAC | CAA | H2 | 108.3° | 109.5° |
| CAC | CAA | H3 | 108.3° | 109.4° |
| CAA | CAB | CAG | 110.2° | 120.0° |
| CAB | CAA | H2 | 108.4° | 109.5° |
| CAB | CAA | H3 | 108.4° | 109.5° |
| CAB | CAG | OAI | 120.0° | 120.0° |
| CAB | CAG | OAH | 114.2° | 120.0° |
| OAI | CAG | OAH | 125.8° | 120.0° |
| CAG | OAH | H4 | 109.5° | 117.1° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H5 | CAK | H6 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAN | CAJ | CAK | CAL | 35.9° | 65.0° |
| OAN | CAJ | CAK | NAF | 167.3° | 120.0° |
| OAN | CAJ | CAK | H8 | 96.0° | 120.0° |
| OAN | CAJ | NAF | H8 | 96.0° | 120.0° |
| OAN | CAJ | NAF | CAB | 167.1° | 125.4° |
| OAN | CAJ | CAK | H5 | 156.1° | 55.0° |
| OAN | CAJ | CAK | H6 | 84.2° | 175.0° |
| OAM | CAL | CAK | H7 | 180.0° | 179.9° |
| OAM | CAL | CAK | CAJ | 146.7° | 125.0° |
| OAM | CAL | CAK | H5 | 93.2° | 5.0° |
| OAM | CAL | CAK | H6 | 26.5° | 115.0° |
| CAL | CAK | CAJ | H5 | 120.2° | 120.0° |
| CAL | CAK | CAJ | H6 | 120.2° | 120.0° |
| CAL | CAK | CAJ | NAF | 156.8° | 175.0° |
| CAL | CAK | H5 | H6 | 119.5° | 120.0° |
| CAL | CAK | CAJ | H8 | 60.1° | 54.9° |
| CAK | CAJ | NAF | H8 | 96.5° | 120.1° |
| CAK | CAJ | NAF | CAB | 25.5° | 114.7° |
| CAJ | CAK | H5 | H6 | 119.5° | 120.0° |
| CAJ | CAK | CAL | H7 | 33.3° | 54.9° |
| CAK | CAJ | OAN | H9 | 180.0° | 60.0° |
| CAJ | NAF | CAB | CAA | 178.4° | 174.6° |
| CAJ | NAF | CAB | CAG | 0.7° | 5.4° |
| NAF | CAJ | CAK | H5 | 36.6° | 65.0° |
| NAF | CAJ | CAK | H6 | 83.0° | 55.0° |
| NAF | CAJ | OAN | H9 | 12.0° | 60.0° |
| NAF | CAB | CAA | CAC | 43.7° | 115.1° |
| NAF | CAB | CAA | CAG | 179.2° | 180.0° |
| NAF | CAB | CAG | OAI | 92.9° | 95.7° |
| NAF | CAB | CAG | OAH | 86.6° | 84.3° |
| NAF | CAB | CAA | H2 | 76.9° | 5.0° |
| NAF | CAB | CAA | H3 | 164.4° | 125.0° |
| CAB | NAF | CAJ | H8 | 71.1° | 5.4° |
| OAD | CAC | OAE | CAA | 179.6° | 179.8° |
| OAD | CAC | CAA | CAB | 77.9° | 0.1° |
| OAD | CAC | OAE | H1 | 0.0° | 0.1° |
| OAD | CAC | CAA | H2 | 42.8° | 120.0° |
| OAD | CAC | CAA | H3 | 161.5° | 120.0° |
| OAE | CAC | CAA | CAB | 101.7° | 179.7° |
| OAE | CAC | CAA | H2 | 137.6° | 60.2° |
| OAE | CAC | CAA | H3 | 18.9° | 59.8° |
| CAC | CAA | CAB | H2 | 120.6° | 120.0° |
| CAC | CAA | CAB | H3 | 120.6° | 120.0° |
| CAC | CAA | CAB | CAG | 137.1° | 65.0° |
| CAA | CAC | OAE | H1 | 179.5° | 179.7° |
| CAC | CAA | H2 | H3 | 118.0° | 119.9° |
| CAA | CAB | CAG | OAI | 88.0° | 84.3° |
| CAA | CAB | CAG | OAH | 92.5° | 95.7° |
| CAB | CAA | H2 | H3 | 118.0° | 120.0° |
| CAB | CAG | OAI | OAH | 179.5° | 180.0° |
| CAG | CAB | CAA | H2 | 102.2° | 175.0° |
| CAG | CAB | CAA | H3 | 16.5° | 55.0° |
| CAB | CAG | OAH | H4 | 179.5° | 180.0° |
| OAI | CAG | OAH | H4 | 0.0° | 0.0° |
| H5 | CAK | CAL | H7 | 86.8° | 175.0° |
| H5 | CAK | CAJ | H8 | 60.1° | 174.9° |
| H6 | CAK | CAL | H7 | 153.5° | 65.1° |
| H6 | CAK | CAJ | H8 | 179.8° | 65.1° |
| H8 | CAJ | OAN | H9 | 84.1° | 180.0° |
